2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole

C14H14ClF3N2 — CID 175452318

IUPAC2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)n1c(CCl)nc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H14ClF3N2/c1-9(2)20-11(8-15)19-13(14(16,17)18)12(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyDYVDYJCJCPUHNO-UHFFFAOYSA-N
MW302.73 g/mol
LogP4.89
Rot. Bonds3

About 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole

2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 175452318) has the molecular formula C14H14ClF3N2 and a molecular weight of 302.73 g/mol. Its IUPAC name is 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID175452318
Molecular FormulaC14H14ClF3N2
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)n1c(CCl)nc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H14ClF3N2/c1-9(2)20-11(8-15)19-13(14(16,17)18)12(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyDYVDYJCJCPUHNO-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole (CID 175452318) is 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole is CC(C)n1c(CCl)nc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is DYVDYJCJCPUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2/c1-9(2)20-11(8-15)19-13(14(16,17)18)12(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 302.73 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 175452318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).